872254-32-5

Basic information

• Product Name: 1-(4-Methyoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
• Synonyms: 1-(4-Methyoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
• CAS NO: 872254-32-5
• Molecular Formula: C₂₆H₂₅N₃O₆S
• Molecular Weight: 507.56
• Mol File: 872254-32-5.mol
• Article Data: 3

Chemical Properties

• Melting Point: 156.7-158.4 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 732.109°C at 760 mmHg
• Flash Point: 396.566°C
• Appearance: /
• Density: 1.39g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.642
• Storage Temp.: ?20°C
• Solubility: DMSO: >10mg/mL
• PKA: 4.67±0.10(Predicted)
• CAS DataBase Reference: 1-(4-Methyoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-Methyoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione(872254-32-5)
• EPA Substance Registry System: 1-(4-Methyoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione(872254-32-5)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 872254-32-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C26H25N3O6S/c1-34-20-8-6-18(7-9-20)16-28-24-11-10-22(14-23(24)25(30)26(28)31)36(32,33)29-13-3-4-19(29)17-35-21-5-2-12-27-15-21/h2,5-12,14-15,19H,3-4,13,16-17H2,1H3/t19-/m0/s1

Upstream product

• 872254-12-1 5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione 
• 824-94-2 p-methoxybenzyl chloride 
• 2746-25-0 p-Methoxybenzyl bromide 
• 132898-96-5 5-chlorosulfonylisatin 
• 161417-33-0 (S)-2-(pyridin-3-yloxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester 
• 69610-40-8 N-(tert-butoxycarbonyl)-L-prolinol 
• 86661-32-7 (S)-tert-butyl 2-((tosyloxy)methyl)pyrrolidine-1-carboxylate 
• 161416-57-5 3-(2-(S)-pyrrolidin-2-ylmethoxy)pyridine 
• 80789-74-8 5-isatinsulfonic acid sodium salt 

Relevant articles and documents

ISATIN ANALOGUES AND USES THEREFOR

Novel isatin analogues, including isatin analogues comprising Michael Acceptors (IMAs) are disclosed. Further disclosed are methods of synthesis of the isatin analogues, and uses of the analogues, including inhibition of caspase-3 and caspase-7, and in vi

N-benzylisatin sulfonamide analogues as potent caspase-3 inhibitors: Synthesis, in vitro activity, and molecular modeling studies

A number of isatin sulfonamide analogues were prepared and their potencies for inhibiting caspase-1, -3, -6, -7, and -8 were evaluated in vitro. Several compounds displaying a nanomolar potency for inhibiting the executioner caspases, caspase-3 and caspas